3-amino-2-(dimethylsulfamoylamino)propanoic acid

C5H13N3O4S — CID 23223724

IUPAC3-amino-2-(dimethylsulfamoylamino)propanoic acid
SMILESCN(C)S(=O)(=O)NC(CN)C(=O)O
InChIInChI=1S/C5H13N3O4S/c1-8(2)13(11,12)7-4(3-6)5(9)10/h4,7H,3,6H2,1-2H3,(H,9,10)
InChIKeyIWOOMRJISLBMAP-UHFFFAOYSA-N
MW211.24 g/mol
LogP-2.21
Rot. Bonds5

About 3-amino-2-(dimethylsulfamoylamino)propanoic acid

3-amino-2-(dimethylsulfamoylamino)propanoic acid (PubChem CID 23223724) has the molecular formula C5H13N3O4S and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-amino-2-(dimethylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(dimethylsulfamoylamino)propanoic acid
PubChem CID23223724
Molecular FormulaC5H13N3O4S
Molecular Weight211.24 g/mol
Exact Mass211.06
IUPAC Name3-amino-2-(dimethylsulfamoylamino)propanoic acid
SMILESCN(C)S(=O)(=O)NC(CN)C(=O)O
InChIInChI=1S/C5H13N3O4S/c1-8(2)13(11,12)7-4(3-6)5(9)10/h4,7H,3,6H2,1-2H3,(H,9,10)
InChIKeyIWOOMRJISLBMAP-UHFFFAOYSA-N
XLogP-2.21
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(dimethylsulfamoylamino)propanoic acid?
The IUPAC name of 3-amino-2-(dimethylsulfamoylamino)propanoic acid (CID 23223724) is 3-amino-2-(dimethylsulfamoylamino)propanoic acid.
What is the SMILES notation for 3-amino-2-(dimethylsulfamoylamino)propanoic acid?
The canonical SMILES for 3-amino-2-(dimethylsulfamoylamino)propanoic acid is CN(C)S(=O)(=O)NC(CN)C(=O)O.
What is the InChIKey of 3-amino-2-(dimethylsulfamoylamino)propanoic acid?
The InChIKey is IWOOMRJISLBMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O4S/c1-8(2)13(11,12)7-4(3-6)5(9)10/h4,7H,3,6H2,1-2H3,(H,9,10).
What are the key properties of 3-amino-2-(dimethylsulfamoylamino)propanoic acid?
3-amino-2-(dimethylsulfamoylamino)propanoic acid has a molecular weight of 211.24 g/mol, XLogP of -2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(dimethylsulfamoylamino)propanoic acid is sourced from PubChem (CID 23223724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).